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TitleQuinolones as HCV NS5B polymerase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 82-87, Year 2011
Publish dateNov 3, 2010 (structure data deposition date)
AuthorsKumar, D.V. / Rai, R. / Brameld, K.A. / Somoza, J.R. / Rajagopalan, R. / Janc, J.W. / Xia, Y.M. / Ton, T.L. / Shaghafi, M.B. / Hu, H. ...Kumar, D.V. / Rai, R. / Brameld, K.A. / Somoza, J.R. / Rajagopalan, R. / Janc, J.W. / Xia, Y.M. / Ton, T.L. / Shaghafi, M.B. / Hu, H. / Lehoux, I. / To, N. / Young, W.B. / Green, M.J.
External linksBioorg. Med. Chem. Lett. / PubMed:21145235
MethodsX-ray diffraction
Resolution2.174 - 2.2 Å
Structure data

PDB-3phe:
HCV NS5B with a bound quinolone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3udl:
3-heterocyclyl quinolone bound to HCV NS5B
Method: X-RAY DIFFRACTION / Resolution: 2.174 Å

Chemicals

ChemComp-C9A:
4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate

ChemComp-HOH:
WATER

ChemComp-KLI:
3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one

Source
  • hepatitis c virus
  • hepatitis c virus subtype 1b
KeywordsTransferase/Transferase Inhibitor / Transferase / Polymerase / RNA / Mitochondrial membrane / Transferase-Transferase Inhibitor complex / HYDROLASE/HYDROLASE INHIBITOR / HCV / drug design / HYDROLASE-HYDROLASE INHIBITOR complex

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